A phase-field study to explore the nature of the morphological instability of Kirkendall voids in complex alloys.

IF 3.9 2区综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES

Scientific Reports Pub Date : 2024-12-16 DOI:10.1038/s41598-024-81532-6

Ahmadreza Riyahi Khorasgani, Ingo Steinbach, Bettina Camin, Julia Kundin

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Abstract

The present research explores theoretical and computational aspects of the morphological instability of Kirkendall voids induced by a directed flux of vacancies. A quantitative phase-field model is coupled with a multi-component diffusion model and CALPHAD-type thermodynamic and kinetic databases to obtain a meso-scale description of Kirkendall void morphologies under isothermal annealing. The material under investigation is a diffusion couple consisting of a multi-phase multi-component single-crystal Ni-based superalloy on one side and pure Ni on the other side. The flux of the fastest diffuser in the superalloy, Al, towards the pure Ni causes a strong flux of vacancies in the opposite direction. This directed flux of vacancies leads to morphologically instable growth of voids. Phase-field simulations are performed in two (2D) and three dimensions (3D) to understand these instabilities, and the results are compared with experimental observations obtained by synchrotron X-ray tomography. Finally, the simulation results are analyzed with respect to the Mullins-Sekerka linear stability criterion.

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复杂合金中Kirkendall空洞形态不稳定性的相场研究。

本研究探讨了由空位定向流引起的Kirkendall空洞的形态不稳定性的理论和计算方面。将定量相场模型与多组分扩散模型和calphad型热力学和动力学数据库相结合，获得等温退火条件下Kirkendall空洞形态的中尺度描述。所研究的材料是一侧为多相多组分单晶镍基高温合金，另一侧为纯镍的扩散偶联。高温合金Al中扩散速度最快的扩散器向纯Ni方向的通量导致了相反方向的强空位通量。这种空位的定向流动导致了形态上不稳定的空位生长。在二维（2D）和三维（3D）中进行了相场模拟以了解这些不稳定性，并将结果与同步加速器x射线断层扫描获得的实验观测结果进行了比较。最后，根据Mullins-Sekerka线性稳定性准则对仿真结果进行了分析。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Scientific Reports Natural Science Disciplines-

CiteScore

7.50

自引率

4.30%

发文量

19567

审稿时长

3.9 months

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